[(1R)-2-oxidanylidene-1-phenyl-2-[[3-(trifluoromethyl)phenyl]amino]ethyl] pyridine-4-carboxylate

Systemtic Name: [(1R)-2-oxidanylidene-1-phenyl-2-[[3-(trifluoromethyl)phenyl]amino]ethyl] pyridine-4-carboxylate Openeye Name: [(1R)-2-oxo-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [(1R)-2-oxo-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl] ester IUPAC Name: [(1R)-2-oxo-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [(1R)-2-keto-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl] ester Formula: C21H15F3N2O3 MolecularWeight: 400.35061

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=CC=CC(=C2)C(F)(F)F)OC(=O)C3=CC=NC=C3

Isomeric SMILES

C1=CC=C(C=C1)[C@H](C(=O)NC2=CC=CC(=C2)C(F)(F)F)OC(=O)C3=CC=NC=C3

InChI

InChI=1S/C21H15F3N2O3/c22-21(23,24)16-7-4-8-17(13-16)26-19(27)18(14-5-2-1-3-6-14)29-20(28)15-9-11-25-12-10-15/h1-13,18H,(H,26,27)/t18-/m1/s1